相关论文: Step Patterns on Vicinal Reconstructed Surfaces

The morphology of a growing crystal surface is studied in the case of an unstable two-dimensional step flow. Competition between bunching and meandering of steps leads to a variety of patterns characterized by their respective instability…

In this work, we use the first-principle density-functional approach to study the electronic structure of a H atom adsorbed on the ideal Pt(111) and vicinal Pt(211) and Pt(331) surfaces. Full three-dimensional potential-energy surfaces (3D…

The structure, vibrational dynamics and thermodynamics of a chiral surface, Cu(532), has been calculated using a local approach and the harmonic approximation, with interatomic potentials based on the embedded atom method. The relaxation of…

In this article we show that the reconstructions of semiconductor surfaces can be determined using a genetic procedure. Coupled with highly optimized interatomic potentials, the present approach represents an efficient tool for finding and…

We use kinetic Monte Carlo simulations to understand growth- and etching-induced step bunching of 6H-SiC{0001} vicinal surfaces oriented towards [1-100] and [11-20]. By taking account of the different rates of surface diffusion on three…

Miscut surfaces of layered crystals can exhibit a stair-like sequence of terraces having periodic variation in their atomic structure. For hexagonal close-packed and related crystal structures with an {\alpha}{\beta}{\alpha}{\beta} stacking…

Chiral photonics opens new pathways to manipulate light-matter interactions and tailor the optical response of meta-surfaces and -materials by nanostructuring nontrivial patterns. Chirality of matter, such as that of molecules, and light,…

We investigate the applicability of artificial neural networks (ANNs) in reconstructing a sample image of a sponge-like microstructure. We propose to reconstruct the image by predicting the phase of the current pixel based on its causal…

We develop and validate an interatomic potential for ruthenium based on the embedded atom method framework with the Finnis/Sinclair representation. We confirm that the new potential yields a stable hcp lattice with reasonable lattice and…

We report CO-induced lifting of the hexagonal surface reconstruction on Au (001). Using in-situ surface x-ray scattering, we determined a pressure-temperature phase diagram for the reconstruction and measured the dynamical evolution of the…

A sublimating vicinal crystal surface can undergo a step bunching instability when the attachment-detachment kinetics is asymmetric, in the sense of a normal Ehrlich-Schwoebel effect. Here we investigate this instability in a model that…

In reversible computations one is interested in the development of mechanisms allowing to undo the effects of executed actions. The past research has been concerned mainly with reversing single actions. In this paper, we consider the…

This paper considers the robust phase retrieval, which can be cast as a nonsmooth and nonconvex composite optimization problem. We propose two first-order algorithms with adaptive step sizes: the subgradient algorithm (AdaSubGrad) and the…

We analyze the pattern formation in systems of active particles with chiral forces in the context of pedestrian dynamics. To describe the interparticle interactions, we use the standard social force model and supplement it with a new type…

A comparative first principles pseudopotential study of the adsorption and migration profiles of single Pt and Au atoms on the stoichiometric and reduced TiO2 rutile (110) surfaces is presented. Pt and Au behave similarly with respect to…

We investigate the atomic and electronic structure of a single layer of pentacene on the Au(111) surface using density functional theory. To find the candidate structures we strain match the pentacene crystal geometry with the Au(111)…

Here we a present a density functional theory study of pentacene ultra-thin films on flat [(111)] and vicinal [(455)] Au surfaces. We have performed crystal and electronic structure calculations by using PBE and optB86b-vdW functionals and…

We consider the growth of a vicinal crystal surface in the presence of a step-edge barrier. For any value of the barrier strength, measured by the length l_es, nucleation of islands on terraces is always able to destroy asymptotically…

We propose a new method for quantitative characterization of spatial network-like patterns with loops, such as surface fracture patterns, leaf vein networks and patterns of urban streets. Such patterns are not well characterized by purely…

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…